urdof7 commited on
Commit
28ab7f4
·
verified ·
1 Parent(s): ad83b26

Added 10 molecules from epoch 19121 for P31652

Browse files
Files changed (1) hide show
  1. P31652_molecules.csv +10 -0
P31652_molecules.csv CHANGED
@@ -50720,3 +50720,13 @@ rxn:4:219453:224846,CCC1CCC(c2ccc(-c3cnn(CC4CN(C5CCN(C(C)C)C5=O)C4)c3)cc2)CC1,VC
50720
  rxn:4:219569:224430,CCC(C)Oc1ccc2cc(-c3cc([N+](=O)[O-])c(OC)cc3N3CCC(N4CCN(C)CC4)CC3)ccc2c1,TZCXHRSMDKYIER-UHFFFAOYSA-N
50721
  rxn:4:221522:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCC(Cn5cnc6cc(OC)ccc6c5=O)CC4)nc3)cc2)CC1,SVPCSWASGKEWOD-FBSWEULCSA-N
50722
  rxn:5:190200:226061:222987,Cc1nc(C2CCNCC2)ccc1-c1cc(CN(C)C2CCOCC2)cc(-c2cc(C(C)C)cc(C3CC3)c2)c1,UBSQMJVUICLPJD-UHFFFAOYSA-N
 
 
 
 
 
 
 
 
 
 
 
50720
  rxn:4:219569:224430,CCC(C)Oc1ccc2cc(-c3cc([N+](=O)[O-])c(OC)cc3N3CCC(N4CCN(C)CC4)CC3)ccc2c1,TZCXHRSMDKYIER-UHFFFAOYSA-N
50721
  rxn:4:221522:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCC(Cn5cnc6cc(OC)ccc6c5=O)CC4)nc3)cc2)CC1,SVPCSWASGKEWOD-FBSWEULCSA-N
50722
  rxn:5:190200:226061:222987,Cc1nc(C2CCNCC2)ccc1-c1cc(CN(C)C2CCOCC2)cc(-c2cc(C(C)C)cc(C3CC3)c2)c1,UBSQMJVUICLPJD-UHFFFAOYSA-N
50723
+ rxn:4:173672:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cc4oc(C)c(C(=O)OC(C)C)c4cc3OCc3ccccc3F)ccc2OC)CC1,YURREQBCRIPRDT-UHFFFAOYSA-N
50724
+ rxn:4:174403:222538,COC(=O)c1cc(-c2cccc(OC(F)(F)F)c2)c(C)c(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)c1,JCOJASOBYIQQFQ-UHFFFAOYSA-N
50725
+ rxn:4:174403:223892,COC(=O)c1cc(-c2ccc(OCCCN3CCN(C)CC3)cc2)c(C)c(-c2cccc(OC(F)(F)F)c2)c1,XNJVAALVPKJAQT-UHFFFAOYSA-N
50726
+ rxn:4:174744:222389,Fc1cc(OCC(F)(F)C(F)F)ccc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,GWTGLYUEPPANRU-UHFFFAOYSA-N
50727
+ rxn:4:201150:224147,Cc1cc(-c2ccc3c(c2)CCN(CC2CCN(C(=O)OC(C)(C)C)CC2)C3)c(OCc2ccccc2)cc1F,VRHSORZQVIRYFV-UHFFFAOYSA-N
50728
+ rxn:4:201893:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CCC(=O)N4CCN(C)CC4)cc3)cc2)CC1,GIFYOFCSWFYRCP-DUYHBEBVSA-N
50729
+ rxn:4:202162:223847,CCCCCC1CCC(c2ccc(-c3cccc(OC(C)C)c3CN3CCN(C)CC3)cc2)CC1,DLDTVTLEHREQDU-UHFFFAOYSA-N
50730
+ rxn:4:202800:224496,CC#Cc1cc2c(c(F)c1-c1cccc(CN3CCN(CC)CC3)c1)OC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C2,MFFOTVVTARUKJF-MUUNZHRXSA-N
50731
+ rxn:4:212748:223724,CCCC(C)Oc1ccc(-c2ccc(-c3cc(CN4CCCCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2)cc1,HDUIKQGVEVBWTO-UHFFFAOYSA-N
50732
+ rxn:5:190200:228124:222987,CCOc1cc(C)c(-c2cc(CN(C)C3CCOCC3)cc(-c3ccc(C4CCNCC4)nc3C)c2)cn1,WPBQHQMCHVOLHO-UHFFFAOYSA-N